(8S)-7-cyclobutyl-8-methyl-3-(pyridin-3-yloxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine

C17H22N4O — CID 97422078

IUPAC(8S)-7-cyclobutyl-8-methyl-3-(pyridin-3-yloxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
SMILESC[C@H]1c2ncc(COc3cccnc3)n2CCN1C1CCC1
InChIInChI=1S/C17H22N4O/c1-13-17-19-10-15(12-22-16-6-3-7-18-11-16)21(17)9-8-20(13)14-4-2-5-14/h3,6-7,10-11,13-14H,2,4-5,8-9,12H2,1H3/t13-/m0/s1
InChIKeyKCSGAXGEMUTHPI-ZDUSSCGKSA-N
MW298.39 g/mol
LogP2.79
Rot. Bonds4

About (8S)-7-cyclobutyl-8-methyl-3-(pyridin-3-yloxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine

(8S)-7-cyclobutyl-8-methyl-3-(pyridin-3-yloxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine (PubChem CID 97422078) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is (8S)-7-cyclobutyl-8-methyl-3-(pyridin-3-yloxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name(8S)-7-cyclobutyl-8-methyl-3-(pyridin-3-yloxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
PubChem CID97422078
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name(8S)-7-cyclobutyl-8-methyl-3-(pyridin-3-yloxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
SMILESC[C@H]1c2ncc(COc3cccnc3)n2CCN1C1CCC1
InChIInChI=1S/C17H22N4O/c1-13-17-19-10-15(12-22-16-6-3-7-18-11-16)21(17)9-8-20(13)14-4-2-5-14/h3,6-7,10-11,13-14H,2,4-5,8-9,12H2,1H3/t13-/m0/s1
InChIKeyKCSGAXGEMUTHPI-ZDUSSCGKSA-N
XLogP2.79
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-cyclopentyl-8-methyl-3-(pyridin-2-ylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 118746038
(8R)-8-methyl-3-(pyridin-3-yloxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine
CID 97475194
(8R)-8-methyl-7-[(1-methylpyrazol-4-yl)methyl]-3-(pyridin-3-yloxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 97422049
8-methyl-7-methylsulfonyl-3-(2-pyridin-3-yloxyethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 131695752
cyclohexen-1-yl-[8-methyl-3-(pyridin-3-yloxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone;2,2,2-trifluoroacetic acid
CID 118743846
(8S)-3-(methoxymethyl)-8-methyl-7-pyridin-3-ylsulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 97421796
2-(furan-2-yl)-1-[8-methyl-3-(pyridin-3-yloxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone;2,2,2-trifluoroacetic acid
CID 118744278
8-methyl-3-(pyridin-2-ylmethoxymethyl)-7-pyrimidin-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 131646758
3-[(5-methyloxolan-2-yl)methoxy]pyridine
CID 103141074
8-methyl-7-(pyridin-3-ylmethyl)-3-(pyridin-3-yloxymethyl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepine
CID 131694746
(8R)-8-methyl-3-(pyridin-2-ylmethoxymethyl)-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 97474204
2-[[(8S)-3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,3-thiazole
CID 97421882

Frequently Asked Questions

What is the IUPAC name of (8S)-7-cyclobutyl-8-methyl-3-(pyridin-3-yloxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
The IUPAC name of (8S)-7-cyclobutyl-8-methyl-3-(pyridin-3-yloxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine (CID 97422078) is (8S)-7-cyclobutyl-8-methyl-3-(pyridin-3-yloxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine.
What is the SMILES notation for (8S)-7-cyclobutyl-8-methyl-3-(pyridin-3-yloxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
The canonical SMILES for (8S)-7-cyclobutyl-8-methyl-3-(pyridin-3-yloxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine is C[C@H]1c2ncc(COc3cccnc3)n2CCN1C1CCC1.
What is the InChIKey of (8S)-7-cyclobutyl-8-methyl-3-(pyridin-3-yloxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
The InChIKey is KCSGAXGEMUTHPI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H22N4O/c1-13-17-19-10-15(12-22-16-6-3-7-18-11-16)21(17)9-8-20(13)14-4-2-5-14/h3,6-7,10-11,13-14H,2,4-5,8-9,12H2,1H3/t13-/m0/s1.
What are the key properties of (8S)-7-cyclobutyl-8-methyl-3-(pyridin-3-yloxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
(8S)-7-cyclobutyl-8-methyl-3-(pyridin-3-yloxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine has a molecular weight of 298.39 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-7-cyclobutyl-8-methyl-3-(pyridin-3-yloxymethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine is sourced from PubChem (CID 97422078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).